[Cr(CO)3(η6-C6H5)CH2P(O)(OCH3)2] | 187950-19-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: [Cr(CO)3(η6-C6H5)CH2P(O)(OCH3)2]
• 英文别名: Carbon monoxide;chromium;dimethoxyphosphorylmethylbenzene
• CAS: 187950-19-2
• 化学式: C₁₂H₁₃CrO₆P
• 分子量: 336.201
• InChiKey: FNTUSPCBUCYJFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-硝基噻吩-2-甲醛 、 [Cr(CO)3(η6-C6H5)CH2P(O)(OCH3)2] 以 四氢呋喃 为溶剂， 生成 (E)-Cr(CO)3(η(6)-C6H5)CH=CH[2-(5-C4H2S)NO2]
  参考文献：
  名称：

  带有共轭侧链的铬羰基芳烃配合物的合成和NLO性质：推挽发色团中铬羰基配合物的两性性质

  摘要：

  供体和接受体取代炔基化铬，羰基芳烃络合物的Cr（CO）2 L（η 6 -R 1 -C 6 ħ 4）（C⋮C）ñ - [R 2（1，Ñ = 1，L = CO，PPH 3，R 1＝ H，邻甲酰基，R 2＝p- C 6 H 4 -NMe 2，p- C 6 H 4 -NO 2，二茂铁基；3，n＝ 2，L ＝ CO，R 1。= H，R 2 = p -C 6 H 4 -NMe 2，p -C 6 H 4 -NO 2，二茂铁基）很容易通过氯芳烃配合物的Sonogashira炔基化反应和溴炔与复合苯基乙炔1a的Cadiot-Chodkiewicz偶联容易地获得（n＝ 1，L ＝ CO，R 1＝ R 2＝ H）。Cr（CO）3络合的苄基膦酸酯和（杂）芳族醛的Horner-Emmons-Wadsworth烯化反应生成许多​​烯基化羰基铬芳烃络合物（E）n-Cr（CO）3（η 6 -C 6 H ^ 5）（CH CH）ñ

  DOI：

  10.1021/om9904551

文献信息

• Second-order optical effects in organometallic nanocomposites induced by an acoustic field
  作者：A. Migalska-Zalas、B. Sahraoui、I. V. Kityk、S. Tkaczyk、V. Yuvshenko、J.-L. Fillaut、J. Perruchon、T. J. J. Muller

  DOI：10.1103/physrevb.71.035119

  日期：——

  Acoustically stimulated second-order optical effects in Ru-derivative nanocomposites were discovered. The alkynyl ruthenium derivatives were embedded in a polymethyl methacrylate (PMMA) polymer matrix. As second-order optical effects we studied second-harmonic generation (SHG) and linear electro-optics (LEO) phenomena. The physical insight of the effect observed consists in a coexistence of nanocofined chromophore levels and localized d states of ruthenium. A transverse acoustic field favors the occurrence of charge density noncentrosymmetry required for observation of the second-order optical effects, particularly SHG. We have found that acoustically induced SHG and LEO for fundamental YAB-Gd3+ laser light (lambda=1.76 mum) increases and achieves a maximum value at acoustic power density of about 1.45 W/cm(2). The values of the SHG for several Ru chromophores were higher than those for well-known inorganic crystals. With decreasing temperature, the SHG signal strongly increases below 55 K and correlates well with occurrence of "softlike" low-frequency anharmonic quasiphonon modes responsible for the phase transitions. The SHG maxima were observed at acoustic frequencies of about 13 kHz. Increasing of acoustical frequencies up to the megahertz range suppresses the observed phenomena. Comparing the obtained results with the acoustically induced Raman spectra at different temperatures one can conclude that the observed effects are due to acoustically induced electron-vibration anharmonicity, and are observed at temperatures below 55 K. Varying the chromophore content within the embedded matrices we were able to use effective nanoparticle sizes within the range 5-60 nm. It is clearly shown that the enhancement of the effective nanosize effectively suppresses the observed second-order optical effects.
• χ⁽²⁾ Grating in Ru Derivative Chromophores Incorporated within the PMMA Polymer Matrices
  作者：A. Migalska-Zalas、Z. Sofiani、B. Sahraoui、I. V. Kityk、S. Tkaczyk、V. Yuvshenko、J.-L. Fillaut、J. Perruchon、T. J. J. Muller

  DOI：10.1021/jp048794h

  日期：2004.9.1

  We have found that Ru derivative chromophores incorporated into the PMMA polymer matrices might be considered as promising materials for optical poling. The maximally achieved effective second-order optical susceptibility for the wavelength 1.89 mum is about 1.94 pm/V. The investigated composites possess metastable trapping levels originating both from the d states of Ru and due to effective charge transfer due to the presence of pi-conjugated states. Because of incorporation of the chromophore into polymer matrices, we have revealed that the maximal susceptibility is observed at 5-6% of the chromophore in weighting units. The further increase of the second-order susceptibility is limited by the appearance of chromophore agglomerates substantially restraining second-order susceptibilities. The investigated composites possess long-lived chi((2)) grating, which decreases less than 76% after 600 min of laser treatment. The electrostatic field causes additional reanimation of the second harmonic generation during the decay regime. The electron microscopy pictures clearly confirm appearance of the chi((2)) grating.
• Syntheses and NLO Properties of Chromium Carbonyl Arene Complexes with Conjugated Side Chains:  The Amphoteric Nature of Chromium Carbonyl Complexation in Push−Pull Chromophores
  作者：Thomas J. J. Müller、Astrid Netz、Markus Ansorge、Elmar Schmälzlin、Christoph Bräuchle、Klaus Meerholz

  DOI：10.1021/om9904551

  日期：1999.11.1

  (hetero)aromatic aldehydes give rise to numerous alkenylated chromium carbonyl arene complexes (E)n-Cr(CO)3(η6-C6H5)(CHCH)nR1 (6, n = 1−3, R1 = p-C6H4-NMe2, p-C6H4-NO2, 2-(4-nitrothienyl)). The linear (UV/vis spectra) and the nonlinear optical properties (hyper Rayleigh scattering measurements) of the complexes 1, 3, and 6 reveal that the chromium carbonyl arene fragment behaves electronically amphoteric, i.e.

  供体和接受体取代炔基化铬，羰基芳烃络合物的Cr（CO）2 L（η 6 -R 1 -C 6 ħ 4）（C⋮C）ñ - [R 2（1，Ñ = 1，L = CO，PPH 3，R 1＝ H，邻甲酰基，R 2＝p- C 6 H 4 -NMe 2，p- C 6 H 4 -NO 2，二茂铁基；3，n＝ 2，L ＝ CO，R 1。= H，R 2 = p -C 6 H 4 -NMe 2，p -C 6 H 4 -NO 2，二茂铁基）很容易通过氯芳烃配合物的Sonogashira炔基化反应和溴炔与复合苯基乙炔1a的Cadiot-Chodkiewicz偶联容易地获得（n＝ 1，L ＝ CO，R 1＝ R 2＝ H）。Cr（CO）3络合的苄基膦酸酯和（杂）芳族醛的Horner-Emmons-Wadsworth烯化反应生成许多​​烯基化羰基铬芳烃络合物（E）n-Cr（CO）3（η 6 -C 6 H ^ 5）（CH CH）ñ